6HKB
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-11 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.234, 112.394, 62.439 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.340 - 1.700 |
| R-factor | 0.178 |
| Rwork | 0.177 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jc3 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.883 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.370 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmeas | 0.084 | 0.212 |
| Number of reflections | 32176 | 1681 |
| <I/σ(I)> | 15.4 | 7.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.7 | 4.6 |
| CC(1/2) | 0.995 | 0.967 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 278 | 0.095M Hepes, 0.19M CaCl2, 5% glycerol, 26% PEG400 |
